General Information of the Compound
| Compound ID |
CP0500284
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| Compound Name |
N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]pyridin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
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| Structure |
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| Formula |
C27H27F3N4O3
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| Molecular Weight |
512.532
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| Canonical SMILES |
CCc1ncc(cc1NC(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)C1CC([C@@H](C)CO)c2ncncc12
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| InChI |
InChI=1S/C27H27F3N4O3/c1-3-22-23(34-24(36)8-16-4-6-18(7-5-16)27(28,29)30)9-17(11-32-22)26(37)20-10-19(15(2)13-35)25-21(20)12-31-14-33-25/h4-7,9,11-12,14-15,19-20,35H,3,8,10,13H2,1-2H3,(H,34,36)/t15-,19?,20?/m0/s1
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| InChIKey |
YATACVWKJZUENE-VMEOHVCESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound